6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide

C22H26F3N7O2 — CID 163823366

IUPAC6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide
SMILESC[C@H](N)C1(Nc2nc(Nc3ccc4c(c3)c(OC(F)F)nn4C)c(C(N)=O)cc2F)CCCC1
InChIInChI=1S/C22H26F3N7O2/c1-11(26)22(7-3-4-8-22)30-19-15(23)10-14(17(27)33)18(29-19)28-12-5-6-16-13(9-12)20(31-32(16)2)34-21(24)25/h5-6,9-11,21H,3-4,7-8,26H2,1-2H3,(H2,27,33)(H2,28,29,30)/t11-/m0/s1
InChIKeyNXIHJQJZNUJOAF-NSHDSACASA-N
MW477.49 g/mol
LogP3.62
Rot. Bonds8

About 6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide

6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide (PubChem CID 163823366) has the molecular formula C22H26F3N7O2 and a molecular weight of 477.49 g/mol. Its IUPAC name is 6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide
PubChem CID163823366
Molecular FormulaC22H26F3N7O2
Molecular Weight477.49 g/mol
Exact Mass477.21
IUPAC Name6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide
SMILESC[C@H](N)C1(Nc2nc(Nc3ccc4c(c3)c(OC(F)F)nn4C)c(C(N)=O)cc2F)CCCC1
InChIInChI=1S/C22H26F3N7O2/c1-11(26)22(7-3-4-8-22)30-19-15(23)10-14(17(27)33)18(29-19)28-12-5-6-16-13(9-12)20(31-32(16)2)34-21(24)25/h5-6,9-11,21H,3-4,7-8,26H2,1-2H3,(H2,27,33)(H2,28,29,30)/t11-/m0/s1
InChIKeyNXIHJQJZNUJOAF-NSHDSACASA-N
XLogP3.62
TPSA133.11 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide
CID 134188100
6-[(2-amino-5-methylhexan-3-yl)amino]-2-[(3-cyclopropyl-1-methylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305672
6-[[1-[(1S)-1-aminoethyl]cyclobutyl]amino]-5-fluoro-2-[[5-(4-methylpyrazol-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 163746101
6-[(2-amino-5-methylhexan-3-ylidene)amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-5-yl)amino]pyridine-3-carboxamide
CID 154030092
6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide
CID 154030087
6-[(3-amino-1-cyclopropylbutan-2-yl)amino]-2-[(1,3-dimethylindazol-6-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305674
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[(3-fluoro-1-methylindazol-6-yl)amino]pyridine-3-carboxamide
CID 163988793
6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide
CID 135305660
6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide
CID 163763806
6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305750
6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[[3-[2-methoxyethyl(methyl)amino]-1-methylindol-5-yl]amino]pyridine-3-carboxamide
CID 134187913
5-fluoro-6-(2-iminohexan-3-ylamino)-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide
CID 134188098

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide (CID 163823366) is 6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide is C[C@H](N)C1(Nc2nc(Nc3ccc4c(c3)c(OC(F)F)nn4C)c(C(N)=O)cc2F)CCCC1.
What is the InChIKey of 6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide?
The InChIKey is NXIHJQJZNUJOAF-NSHDSACASA-N. The full InChI is InChI=1S/C22H26F3N7O2/c1-11(26)22(7-3-4-8-22)30-19-15(23)10-14(17(27)33)18(29-19)28-12-5-6-16-13(9-12)20(31-32(16)2)34-21(24)25/h5-6,9-11,21H,3-4,7-8,26H2,1-2H3,(H2,27,33)(H2,28,29,30)/t11-/m0/s1.
What are the key properties of 6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide?
6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 3.62, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(1S)-1-aminoethyl]cyclopentyl]amino]-2-[[3-(difluoromethoxy)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 163823366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).